ghemical-2.99.2-6-rosa.lts2012.0.x86_64.rpm


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Description

ghemical - Molecular mechanics and quantum mechanics frontend for GNOME

Distribution: ROSA Enterprise Desktop
Repository: ROSA Contrib Updates x86_64
Package name: ghemical
Package version: 2.99.2
Package release: 6-rosa.lts2012.0
Package architecture: x86_64
Package type: rpm
Installed size: 2.68 MB
Download size: 1.71 MB
Official Mirror: mirror.rosalab.ru
Ghemical is a computational chemistry application. Ghemical is written in C++. It has a graphical user interface (in fact, a couple of them), and it supports both quantum-mechanics (semi-empirical and ab initio) models and molecular mechanics models (there is an experimental Tripos 5.2-like force field for organic molecules). Also a tool for reduced protein models is included. Geometry optimization, molecular dynamics and a large set of visualization tools are currently available.

Alternatives

Provides

  • ghemical == 2.99.2-6:2012.0

    Install Howto

    1. Enable ROSA Contrib Updates repository on Install and Remove Software"
    2. Update packages list:
      # urpmi.update -a
    3. Install ghemical rpm package:
      # urpmi ghemical

    Files

    • /usr/bin/ghemical
    • /usr/share/applications/mandriva-ghemical.desktop
    • /usr/share/doc/ghemical/AUTHORS
    • /usr/share/doc/ghemical/ChangeLog
    • /usr/share/doc/ghemical/NEWS
    • /usr/share/doc/ghemical/README
    • /usr/share/doc/ghemical/TODO
    • /usr/share/ghemical/
    • /usr/share/ghemical/2.99.2/
    • /usr/share/ghemical/2.99.2/examples/2-chlorobutane.gpr
    • /usr/share/ghemical/2.99.2/examples/3-phenylpropanal.gpr
    • /usr/share/ghemical/2.99.2/examples/PeriodicTable.gpr
    • /usr/share/ghemical/2.99.2/examples/acetylsalicylic_acid.gpr
    • /usr/share/ghemical/2.99.2/examples/alpha-pinene.gpr
    • /usr/share/ghemical/2.99.2/examples/bromobenzene.gpr
    • /usr/share/ghemical/2.99.2/examples/camphor.gpr
    • /usr/share/ghemical/2.99.2/examples/cinnamaldehyde.gpr
    • /usr/share/ghemical/2.99.2/examples/cis-2-pentene.gpr
    • /usr/share/ghemical/2.99.2/examples/cyclohexane.gpr
    • /usr/share/ghemical/2.99.2/examples/dna_AGTC.gpr
    • /usr/share/ghemical/2.99.2/examples/naphtalene.gpr
    • /usr/share/ghemical/2.99.2/examples/rna_aguc.gpr
    • /usr/share/ghemical/2.99.2/examples/transition_state_search/
    • /usr/share/ghemical/2.99.2/examples/transition_state_search/E2-reaction/products.gpr
    • /usr/share/ghemical/2.99.2/examples/transition_state_search/E2-reaction/reactants.gpr
    • /usr/share/ghemical/2.99.2/examples/transition_state_search/E2-reaction/ts.gpr
    • /usr/share/ghemical/2.99.2/examples/transition_state_search/SN2-reaction/products.gpr
    • /usr/share/ghemical/2.99.2/examples/transition_state_search/SN2-reaction/reactants.gpr
    • /usr/share/ghemical/2.99.2/examples/transition_state_search/SN2-reaction/ts.gpr
    • /usr/share/ghemical/2.99.2/examples/transition_state_search/carbocation_rearrangement_hydride_shift/products.gpr
    • /usr/share/ghemical/2.99.2/examples/transition_state_search/carbocation_rearrangement_hydride_shift/reactants.gpr
    • /usr/share/ghemical/2.99.2/examples/transition_state_search/carbocation_rearrangement_hydride_shift/ts.gpr
    • /usr/share/ghemical/2.99.2/examples/transition_state_search/carbocation_rearrangement_methide_shift/products.gpr
    • /usr/share/ghemical/2.99.2/examples/transition_state_search/carbocation_rearrangement_methide_shift/reactants.gpr
    • /usr/share/ghemical/2.99.2/examples/transition_state_search/carbocation_rearrangement_methide_shift/ts.gpr
    • /usr/share/ghemical/2.99.2/examples/transition_state_search/cycloaddition_Diels-Alder/products.gpr
    • /usr/share/ghemical/2.99.2/examples/transition_state_search/cycloaddition_Diels-Alder/reactants.gpr
    • /usr/share/ghemical/2.99.2/examples/transition_state_search/cycloaddition_Diels-Alder/ts.gpr
    • /usr/share/ghemical/2.99.2/examples/transition_state_search/sigmatropic_rearrangement_Cope/products.gpr
    • /usr/share/ghemical/2.99.2/examples/transition_state_search/sigmatropic_rearrangement_Cope/reactants.gpr
    • /usr/share/ghemical/2.99.2/examples/transition_state_search/sigmatropic_rearrangement_Cope/ts.gpr
    • /usr/share/ghemical/2.99.2/examples/transition_state_search/tautomeric_shift_keto_enol/products.gpr
    • /usr/share/ghemical/2.99.2/examples/transition_state_search/tautomeric_shift_keto_enol/reactants.gpr
    • /usr/share/ghemical/2.99.2/examples/transition_state_search/tautomeric_shift_keto_enol/ts.gpr
    • /usr/share/ghemical/2.99.2/glade/gtk_file_export_dialog.glade
    • /usr/share/ghemical/2.99.2/glade/gtk_file_import_dialog.glade
    • /usr/share/ghemical/2.99.2/glade/gtk_geomopt_dialog.glade
    • /usr/share/ghemical/2.99.2/glade/gtk_moldyn_dialog.glade
    • /usr/share/ghemical/2.99.2/glade/gtk_progress_dialog.glade
    • /usr/share/ghemical/2.99.2/glade/gtk_setup_dialog.glade
    • /usr/share/ghemical/2.99.2/glade/gtk_stereo_dialog.glade
    • /usr/share/ghemical/2.99.2/glade/gtk_trajview_dialog.glade
    • /usr/share/ghemical/2.99.2/pixmaps/angle.xpm
    • /usr/share/ghemical/2.99.2/pixmaps/bond.xpm
    • /usr/share/ghemical/2.99.2/pixmaps/bondtype.xpm
    • /usr/share/ghemical/2.99.2/pixmaps/chain.xpm
    • /usr/share/ghemical/2.99.2/pixmaps/clipping.xpm
    • /usr/share/ghemical/2.99.2/pixmaps/dihedral.xpm
    • /usr/share/ghemical/2.99.2/pixmaps/distance.xpm
    • /usr/share/ghemical/2.99.2/pixmaps/draw.xpm
    • /usr/share/ghemical/2.99.2/pixmaps/element.xpm
    • /usr/share/ghemical/2.99.2/pixmaps/erase.xpm
    • /usr/share/ghemical/2.99.2/pixmaps/ghemical.png
    • /usr/share/ghemical/2.99.2/pixmaps/invert.xpm
    • /usr/share/ghemical/2.99.2/pixmaps/measure.xpm
    • /usr/share/ghemical/2.99.2/pixmaps/molecule.xpm
    • /usr/share/ghemical/2.99.2/pixmaps/orbit_xy.xpm
    • /usr/share/ghemical/2.99.2/pixmaps/orbit_z.xpm
    • /usr/share/ghemical/2.99.2/pixmaps/residue.xpm
    • /usr/share/ghemical/2.99.2/pixmaps/rotate_xy.xpm
    • /usr/share/ghemical/2.99.2/pixmaps/rotate_z.xpm
    • /usr/share/ghemical/2.99.2/pixmaps/select.xpm
    • /usr/share/ghemical/2.99.2/pixmaps/setup.xpm
    • /usr/share/ghemical/2.99.2/pixmaps/transl_xy.xpm
    • /usr/share/ghemical/2.99.2/pixmaps/transl_z.xpm
    • /usr/share/ghemical/2.99.2/pixmaps/zoom.xpm
    • /usr/share/ghemical/2.99.2/user-docs/MD.html
    • /usr/share/ghemical/2.99.2/user-docs/MD_viewer.html
    • /usr/share/ghemical/2.99.2/user-docs/aa_table.html
    • /usr/share/ghemical/2.99.2/user-docs/add_hydrogens.html
    • /usr/share/ghemical/2.99.2/user-docs/conf_search_tools.html
    • /usr/share/ghemical/2.99.2/user-docs/documentation.css
    • /usr/share/ghemical/2.99.2/user-docs/energy_vs_torsion.html
    • /usr/share/ghemical/2.99.2/user-docs/filetypes.html
    • /usr/share/ghemical/2.99.2/user-docs/formula.html
    • /usr/share/ghemical/2.99.2/user-docs/geometry_optimization.html
    • /usr/share/ghemical/2.99.2/user-docs/import_types.html
    • /usr/share/ghemical/2.99.2/user-docs/index.html
    • /usr/share/ghemical/2.99.2/user-docs/introduction.html
    • /usr/share/ghemical/2.99.2/user-docs/labels.html
    • /usr/share/ghemical/2.99.2/user-docs/measure.html
    • /usr/share/ghemical/2.99.2/user-docs/perspective.html
    • /usr/share/ghemical/2.99.2/user-docs/references.html
    • /usr/share/ghemical/2.99.2/user-docs/ribbon.html
    • /usr/share/ghemical/2.99.2/user-docs/sequence_builder.html
    • /usr/share/ghemical/2.99.2/user-docs/setup_dialog.html
    • /usr/share/ghemical/2.99.2/user-docs/using_mm.html
    • /usr/share/ghemical/2.99.2/user-docs/using_qm.html
    • /usr/share/ghemical/2.99.2/user-docs/using_sf.html
    • /usr/share/ghemical/2.99.2/user-docs/visualization.html
    • /usr/share/ghemical/2.99.2/user-docs/images/2atoms_unbonded.png
    • /usr/share/ghemical/2.99.2/user-docs/images/aa_builder_ci.png
    • /usr/share/ghemical/2.99.2/user-docs/images/aa_builder_menu.png
    • /usr/share/ghemical/2.99.2/user-docs/images/aa_builder_note.png
    • /usr/share/ghemical/2.99.2/user-docs/images/aa_builder_w_h.png
    • /usr/share/ghemical/2.99.2/user-docs/images/aa_builder_wo_h.png
    • /usr/share/ghemical/2.99.2/user-docs/images/add_hydrogens.png
    • /usr/share/ghemical/2.99.2/user-docs/images/add_hydrogens_select.png
    • /usr/share/ghemical/2.99.2/user-docs/images/change_bond_dialog.png
    • /usr/share/ghemical/2.99.2/user-docs/images/ci_plane.png
    • /usr/share/ghemical/2.99.2/user-docs/images/clipping1.png
    • /usr/share/ghemical/2.99.2/user-docs/images/clipping2.png
    • /usr/share/ghemical/2.99.2/user-docs/images/cyclohexane1.png
    • /usr/share/ghemical/2.99.2/user-docs/images/cyclohexane2.png
    • /usr/share/ghemical/2.99.2/user-docs/images/cyclohexane_optimized.png
    • /usr/share/ghemical/2.99.2/user-docs/images/cyclohexane_unoptimized.png
    • /usr/share/ghemical/2.99.2/user-docs/images/energy_vs_torsion1.png
    • /usr/share/ghemical/2.99.2/user-docs/images/energy_vs_torsion2.png
    • /usr/share/ghemical/2.99.2/user-docs/images/energy_vs_torsion3.png
    • /usr/share/ghemical/2.99.2/user-docs/images/energy_vs_torsion4.png
    • /usr/share/ghemical/2.99.2/user-docs/images/enlevdiag.png
    • /usr/share/ghemical/2.99.2/user-docs/images/esp-plane_mm.png
    • /usr/share/ghemical/2.99.2/user-docs/images/esp-plane_qm.png
    • /usr/share/ghemical/2.99.2/user-docs/images/esp-plane_select.png
    • /usr/share/ghemical/2.99.2/user-docs/images/esp-plane_select_obj.png
    • /usr/share/ghemical/2.99.2/user-docs/images/formula.png
    • /usr/share/ghemical/2.99.2/user-docs/images/formula_select.png
    • /usr/share/ghemical/2.99.2/user-docs/images/geometry_op_dialog.png
    • /usr/share/ghemical/2.99.2/user-docs/images/geometry_optimization_select.png
    • /usr/share/ghemical/2.99.2/user-docs/images/labels_menu.png
    • /usr/share/ghemical/2.99.2/user-docs/images/mainmenu.png
    • /usr/share/ghemical/2.99.2/user-docs/images/maintools.png
    • /usr/share/ghemical/2.99.2/user-docs/images/md_dialog.png
    • /usr/share/ghemical/2.99.2/user-docs/images/modal.png
    • /usr/share/ghemical/2.99.2/user-docs/images/notebook.png
    • /usr/share/ghemical/2.99.2/user-docs/images/optimized_ethane.png
    • /usr/share/ghemical/2.99.2/user-docs/images/remove_hydrogens.png
    • /usr/share/ghemical/2.99.2/user-docs/images/ribbon.png
    • /usr/share/ghemical/2.99.2/user-docs/images/sequence_builder.png
    • /usr/share/ghemical/2.99.2/user-docs/images/setup1.png
    • /usr/share/ghemical/2.99.2/user-docs/images/setup2.png
    • /usr/share/ghemical/2.99.2/user-docs/images/setup_select.png
    • /usr/share/ghemical/2.99.2/user-docs/images/toplevel.png
    • /usr/share/ghemical/2.99.2/user-docs/images/traj_dialog.png
    • /usr/share/ghemical/2.99.2/user-docs/images/using_mm_01.png
    • /usr/share/ghemical/2.99.2/user-docs/images/using_mm_02.png
    • /usr/share/ghemical/2.99.2/user-docs/images/using_mm_03.png
    • /usr/share/ghemical/2.99.2/user-docs/images/using_mm_04.png
    • /usr/share/ghemical/2.99.2/user-docs/images/using_mm_05.png
    • /usr/share/ghemical/2.99.2/user-docs/images/using_mm_06.png
    • /usr/share/ghemical/2.99.2/user-docs/images/using_mm_07.png
    • /usr/share/ghemical/2.99.2/user-docs/images/using_mm_08.png
    • /usr/share/ghemical/2.99.2/user-docs/images/using_mm_09.png
    • /usr/share/ghemical/2.99.2/user-docs/images/using_mm_10.png
    • /usr/share/ghemical/2.99.2/user-docs/images/using_mm_11.png
    • /usr/share/ghemical/2.99.2/user-docs/images/window.png
    • /usr/share/icons/hicolor/16x16/apps/ghemical.png
    • /usr/share/icons/hicolor/32x32/apps/ghemical.png
    • /usr/share/icons/hicolor/48x48/apps/ghemical.png
    • /usr/share/locale/fi/LC_MESSAGES/ghemical.mo
    • /usr/share/locale/mk/LC_MESSAGES/ghemical.mo
    • /usr/share/locale/pt_BR/LC_MESSAGES/ghemical.mo
    • /usr/share/locale/sq/LC_MESSAGES/ghemical.mo

    Changelog

    2011-05-07 - Funda Wang <fwang@mandriva.org> 2.99.2-6mdv2011.0 + Revision: 672312 - rebuild

    2010-12-05 - Oden Eriksson <oeriksson@mandriva.com> 2.99.2-5mdv2011.0 + Revision: 610852 - rebuild

    2010-01-15 - J?r?me Brenier <incubusss@mandriva.org> 2.99.2-4mdv2010.1 + Revision: 491810 -rebuild now that mpqc linkage issue is fixed - fix desktop file - use find_lang

    2009-10-16 - Guillaume Bedot <littletux@mandriva.org> 2.99.2-3mdv2010.0 + Revision: 457863 - fix buildrequires - Add translations files - New release - fix buildrequires - New release - drop merged patch - update license

    2009-09-11 - Thierry Vignaud <tv@mandriva.org> 2.98-3mdv2010.0 + Revision: 437686 - rebuild

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